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| Stem definition | Drug id | CAS RN |
|---|---|---|
| angiotensin-converting enzyme inhibitors | 484 | 62571-86-2 |
| Dose | Unit | Route |
|---|---|---|
| 50 | mg | O |
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 160 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 38 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 19.72 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 69 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.75 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 12 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.73 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 2 hours | Lombardo F, Berellini G, Obach RS |
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -2.683 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.735 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.834 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 3.006 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 73 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 56.240 | % | High | 1 |
| herg | hERG pIC50 | 4.150 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.663 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.606 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 62.130 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,KDR,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 | 42 | |||
| kinase-selectivity-class | ACVR2B,AXL,BRAF,CDK9,EIF2AK3,EPHB4,GRK2,MAP2K6,MAPK7,PIK3CD,PRKDC,STK33,TEK,TGFBR1 | 14 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.403 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 5.821 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 93.460 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.272 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 74.210 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.390 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 95.230 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 71.670 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 810.961 | uM | High | 1 |
| Date | Agency | Company | Orphan |
|---|---|---|---|
| April 6, 1981 | FDA | PAR PHARM |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Segmental diverticular colitis | 101.32 | 15.32 | 18 | 12396 | 156 | 90615877 |
| Pedal pulse abnormal | 96.78 | 15.32 | 18 | 12396 | 206 | 90615827 |
| Cardiac failure congestive | 94.37 | 15.32 | 90 | 12324 | 98604 | 90517429 |
| Toxic epidermal necrolysis | 90.31 | 15.32 | 56 | 12358 | 32472 | 90583561 |
| Calcium ionised decreased | 87.87 | 15.32 | 18 | 12396 | 350 | 90615683 |
| Reduced facial expression | 86.40 | 15.32 | 26 | 12388 | 2527 | 90613506 |
| Blood pressure abnormal | 76.16 | 15.32 | 42 | 12372 | 19603 | 90596430 |
| Listless | 72.17 | 15.32 | 24 | 12390 | 3225 | 90612808 |
| Restlessness | 71.19 | 15.32 | 50 | 12364 | 35670 | 90580363 |
| Feeding intolerance | 69.71 | 15.32 | 18 | 12396 | 996 | 90615037 |
| Insulin autoimmune syndrome | 69.25 | 15.32 | 13 | 12401 | 157 | 90615876 |
| Hyponatraemia | 67.16 | 15.32 | 87 | 12327 | 133451 | 90482582 |
| Head discomfort | 66.30 | 15.32 | 36 | 12378 | 16297 | 90599736 |
| Multiple organ dysfunction syndrome | 64.69 | 15.32 | 62 | 12352 | 68274 | 90547759 |
| Dermatitis exfoliative | 63.17 | 15.32 | 25 | 12389 | 5511 | 90610522 |
| Dehydration | 57.82 | 15.32 | 99 | 12315 | 194348 | 90421685 |
| Apathy | 52.36 | 15.32 | 27 | 12387 | 11013 | 90605020 |
| Myocardial infarction | 51.64 | 15.32 | 68 | 12346 | 105904 | 90510129 |
| Left ventricular hypertrophy | 50.66 | 15.32 | 22 | 12392 | 6122 | 90609911 |
| Foreign body | 49.78 | 15.32 | 17 | 12397 | 2477 | 90613556 |
| Self-injurious ideation | 49.31 | 15.32 | 18 | 12396 | 3185 | 90612848 |
| Prescription drug used without a prescription | 49.02 | 15.32 | 18 | 12396 | 3237 | 90612796 |
| Drug interaction | 48.64 | 15.32 | 113 | 12301 | 276340 | 90339693 |
| Hyperthyroidism | 46.99 | 15.32 | 30 | 12384 | 18280 | 90597753 |
| Cardiac failure | 46.90 | 15.32 | 66 | 12348 | 109430 | 90506603 |
| Atrial fibrillation | 45.04 | 15.32 | 72 | 12342 | 133539 | 90482494 |
| Labile hypertension | 44.62 | 15.32 | 11 | 12403 | 504 | 90615529 |
| Electrolyte imbalance | 44.45 | 15.32 | 32 | 12382 | 23713 | 90592320 |
| Immobile | 43.45 | 15.32 | 20 | 12394 | 6378 | 90609655 |
| Gastrointestinal sounds abnormal | 43.20 | 15.32 | 18 | 12396 | 4525 | 90611508 |
| Haemodynamic instability | 42.50 | 15.32 | 24 | 12390 | 11715 | 90604318 |
| Hypokalaemia | 41.94 | 15.32 | 69 | 12345 | 131047 | 90484986 |
| Renal failure | 39.31 | 15.32 | 67 | 12347 | 130940 | 90485093 |
| Cholecystitis | 39.03 | 15.32 | 26 | 12388 | 17014 | 90599019 |
| Systemic lupus erythematosus | 38.25 | 15.32 | 3 | 12411 | 361893 | 90254140 |
| Joint swelling | 37.89 | 15.32 | 11 | 12403 | 503289 | 90112744 |
| Infusion related reaction | 37.68 | 15.32 | 6 | 12408 | 416774 | 90199259 |
| Cognitive disorder | 37.68 | 15.32 | 47 | 12367 | 69360 | 90546673 |
| Affect lability | 37.65 | 15.32 | 26 | 12388 | 18037 | 90597996 |
| Hypotension | 35.95 | 15.32 | 112 | 12302 | 325285 | 90290748 |
| Urinary retention | 35.24 | 15.32 | 34 | 12380 | 37710 | 90578323 |
| Abdominal discomfort | 34.90 | 15.32 | 11 | 12403 | 477317 | 90138716 |
| Blood urea increased | 33.42 | 15.32 | 30 | 12384 | 30383 | 90585650 |
| Acute kidney injury | 32.41 | 15.32 | 107 | 12307 | 320280 | 90295753 |
| Acute myocardial infarction | 31.77 | 15.32 | 31 | 12383 | 34859 | 90581174 |
| Skin test positive | 29.74 | 15.32 | 9 | 12405 | 891 | 90615142 |
| Pelvic fracture | 29.61 | 15.32 | 21 | 12393 | 15198 | 90600835 |
| Encephalopathy | 29.38 | 15.32 | 34 | 12380 | 46410 | 90569623 |
| Cholelithiasis | 29.21 | 15.32 | 36 | 12378 | 52470 | 90563563 |
| Metabolic acidosis | 29.10 | 15.32 | 37 | 12377 | 55639 | 90560394 |
| Bedridden | 28.95 | 15.32 | 19 | 12395 | 12129 | 90603904 |
| Hypertensive crisis | 28.87 | 15.32 | 22 | 12392 | 17762 | 90598271 |
| Stomatitis | 27.09 | 15.32 | 3 | 12411 | 274695 | 90341338 |
| Maternal exposure during pregnancy | 26.84 | 15.32 | 8 | 12406 | 360055 | 90255978 |
| Circulatory collapse | 26.25 | 15.32 | 24 | 12390 | 24880 | 90591153 |
| Abnormal behaviour | 26.21 | 15.32 | 23 | 12391 | 22605 | 90593428 |
| Scleroderma renal crisis | 26.16 | 15.32 | 7 | 12407 | 445 | 90615588 |
| Alopecia | 26.04 | 15.32 | 18 | 12396 | 495053 | 90120980 |
| Blood sodium decreased | 26.01 | 15.32 | 25 | 12389 | 27588 | 90588445 |
| Coronary artery disease | 25.38 | 15.32 | 27 | 12387 | 33596 | 90582437 |
| Therapeutic product effect decreased | 25.06 | 15.32 | 4 | 12410 | 277567 | 90338466 |
| Cyanosis | 25.03 | 15.32 | 21 | 12393 | 19434 | 90596599 |
| Fatigue | 24.53 | 15.32 | 79 | 12335 | 1153944 | 89462089 |
| Renal injury | 24.36 | 15.32 | 16 | 12398 | 10227 | 90605806 |
| Pain | 24.22 | 15.32 | 64 | 12350 | 996277 | 89619756 |
| Arthropathy | 24.10 | 15.32 | 10 | 12404 | 366232 | 90249801 |
| Hypoacusis | 23.97 | 15.32 | 24 | 12390 | 27826 | 90588207 |
| Occupational exposure to product | 23.97 | 15.32 | 10 | 12404 | 2521 | 90613512 |
| Vascular stent thrombosis | 23.82 | 15.32 | 8 | 12406 | 1108 | 90614925 |
| Rheumatoid arthritis | 23.71 | 15.32 | 10 | 12404 | 362604 | 90253429 |
| Sudden death | 23.44 | 15.32 | 16 | 12398 | 10893 | 90605140 |
| Respiratory disorder | 23.31 | 15.32 | 36 | 12378 | 64780 | 90551253 |
| Hyperkalaemia | 23.24 | 15.32 | 36 | 12378 | 64928 | 90551105 |
| Cross sensitivity reaction | 22.80 | 15.32 | 10 | 12404 | 2847 | 90613186 |
| Bradycardia | 22.69 | 15.32 | 41 | 12373 | 83806 | 90532227 |
| Nasopharyngitis | 22.49 | 15.32 | 14 | 12400 | 407090 | 90208943 |
| Oxygen saturation decreased | 22.32 | 15.32 | 47 | 12367 | 107436 | 90508597 |
| Blood potassium decreased | 22.27 | 15.32 | 30 | 12384 | 47697 | 90568336 |
| Cerebrovascular accident | 22.23 | 15.32 | 51 | 12363 | 123482 | 90492551 |
| Blood pressure decreased | 22.05 | 15.32 | 38 | 12376 | 74857 | 90541176 |
| Hepatic enzyme increased | 21.95 | 15.32 | 11 | 12403 | 360725 | 90255308 |
| Electrocardiogram abnormal | 21.88 | 15.32 | 15 | 12399 | 10283 | 90605750 |
| Blood creatinine increased | 21.83 | 15.32 | 45 | 12369 | 101341 | 90514692 |
| Lower respiratory tract infection | 21.77 | 15.32 | 4 | 12410 | 250655 | 90365378 |
| Sinusitis | 21.58 | 15.32 | 10 | 12404 | 343078 | 90272955 |
| Swelling | 21.03 | 15.32 | 16 | 12398 | 419042 | 90196991 |
| Contraindicated product administered | 20.65 | 15.32 | 9 | 12405 | 320130 | 90295903 |
| Nodal rhythm | 20.01 | 15.32 | 8 | 12406 | 1810 | 90614223 |
| Cardiac failure acute | 19.90 | 15.32 | 15 | 12399 | 11914 | 90604119 |
| Cardio-respiratory arrest | 19.86 | 15.32 | 33 | 12381 | 63107 | 90552926 |
| Arthralgia | 19.67 | 15.32 | 49 | 12365 | 778473 | 89837560 |
| Musculoskeletal stiffness | 19.66 | 15.32 | 8 | 12406 | 296524 | 90319509 |
| Renal impairment | 19.50 | 15.32 | 44 | 12370 | 105377 | 90510656 |
| Stevens-Johnson syndrome | 19.41 | 15.32 | 22 | 12392 | 29354 | 90586679 |
| Elastosis perforans | 19.29 | 15.32 | 3 | 12411 | 10 | 90616023 |
| Angiopathy | 19.29 | 15.32 | 11 | 12403 | 5469 | 90610564 |
| Lymphocytosis | 19.20 | 15.32 | 9 | 12405 | 2988 | 90613045 |
| Psoriatic arthropathy | 19.08 | 15.32 | 4 | 12410 | 228331 | 90387702 |
| Extrasystoles | 18.96 | 15.32 | 11 | 12403 | 5646 | 90610387 |
| Posterior reversible encephalopathy syndrome | 18.77 | 15.32 | 19 | 12395 | 22320 | 90593713 |
| Vertigo | 18.72 | 15.32 | 34 | 12380 | 69777 | 90546256 |
| Respiratory failure | 18.21 | 15.32 | 46 | 12368 | 118372 | 90497661 |
| Dermatitis contact | 18.16 | 15.32 | 15 | 12399 | 13580 | 90602453 |
| Artery dissection | 17.71 | 15.32 | 4 | 12410 | 125 | 90615908 |
| Off label use | 17.33 | 15.32 | 85 | 12329 | 1102167 | 89513866 |
| Sinus bradycardia | 17.21 | 15.32 | 16 | 12398 | 16936 | 90599097 |
| Poor quality sleep | 17.18 | 15.32 | 19 | 12395 | 24674 | 90591359 |
| Syncope | 16.83 | 15.32 | 48 | 12366 | 132615 | 90483418 |
| Migraine | 16.61 | 15.32 | 3 | 12411 | 190389 | 90425644 |
| Delirium | 16.52 | 15.32 | 41 | 12373 | 104318 | 90511715 |
| Wheezing | 16.48 | 15.32 | 6 | 12408 | 238074 | 90377959 |
| Shock | 16.43 | 15.32 | 20 | 12394 | 28758 | 90587275 |
| Progressive supranuclear palsy | 16.40 | 15.32 | 4 | 12410 | 175 | 90615858 |
| Cardiac arrest | 16.38 | 15.32 | 41 | 12373 | 104894 | 90511139 |
| Potentiating drug interaction | 16.35 | 15.32 | 10 | 12404 | 5652 | 90610381 |
| Ill-defined disorder | 15.95 | 15.32 | 3 | 12411 | 184888 | 90431145 |
| Dry mouth | 15.85 | 15.32 | 3 | 12411 | 184056 | 90431977 |
| Occupational dermatitis | 15.50 | 15.32 | 3 | 12411 | 43 | 90615990 |
| Ventricular tachycardia | 15.47 | 15.32 | 18 | 12396 | 24690 | 90591343 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Cyanosis | 46.86 | 14.92 | 33 | 9159 | 14998 | 42597145 |
| Angioedema | 39.09 | 14.92 | 47 | 9145 | 42430 | 42569713 |
| Blood ketone body increased | 34.69 | 14.92 | 10 | 9182 | 528 | 42611615 |
| Hypokalaemia | 32.91 | 14.92 | 57 | 9135 | 71664 | 42540479 |
| Scleroderma renal crisis | 32.23 | 14.92 | 9 | 9183 | 423 | 42611720 |
| Klebsiella infection | 31.03 | 14.92 | 23 | 9169 | 11309 | 42600834 |
| Cardiac failure congestive | 30.47 | 14.92 | 61 | 9131 | 85541 | 42526602 |
| Myocardial infarction | 30.25 | 14.92 | 76 | 9116 | 123933 | 42488210 |
| Renal failure | 27.94 | 14.92 | 81 | 9111 | 143645 | 42468498 |
| Kidney small | 24.56 | 14.92 | 5 | 9187 | 58 | 42612085 |
| Hypertensive crisis | 24.17 | 14.92 | 19 | 9173 | 10187 | 42601956 |
| Oral mucosal exfoliation | 23.39 | 14.92 | 6 | 9186 | 203 | 42611940 |
| Cerebrovascular accident | 23.11 | 14.92 | 59 | 9133 | 97101 | 42515042 |
| Perioral dermatitis | 22.67 | 14.92 | 6 | 9186 | 230 | 42611913 |
| Coronary artery disease | 22.45 | 14.92 | 41 | 9151 | 53679 | 42558464 |
| Blood creatinine increased | 22.34 | 14.92 | 63 | 9129 | 109940 | 42502203 |
| Hirsutism | 21.57 | 14.92 | 6 | 9186 | 278 | 42611865 |
| Gingival oedema | 20.67 | 14.92 | 4 | 9188 | 35 | 42612108 |
| Long QT syndrome | 20.26 | 14.92 | 11 | 9181 | 3156 | 42608987 |
| Gingival hypertrophy | 19.98 | 14.92 | 10 | 9182 | 2429 | 42609714 |
| Off label use | 19.90 | 14.92 | 71 | 9121 | 638264 | 41973879 |
| Indifference | 19.67 | 14.92 | 5 | 9187 | 163 | 42611980 |
| Pulmonary hypertensive crisis | 18.62 | 14.92 | 5 | 9187 | 203 | 42611940 |
| Hypotension | 18.17 | 14.92 | 106 | 9086 | 257525 | 42354618 |
| Pulmonary hypoplasia | 18.06 | 14.92 | 6 | 9186 | 508 | 42611635 |
| Vascular resistance systemic decreased | 16.99 | 14.92 | 4 | 9188 | 94 | 42612049 |
| Reaction to excipient | 16.57 | 14.92 | 6 | 9186 | 656 | 42611487 |
| Loss of consciousness | 15.99 | 14.92 | 50 | 9142 | 92304 | 42519839 |
| Arrhythmia | 15.87 | 14.92 | 30 | 9162 | 40287 | 42571856 |
| Renal impairment | 15.81 | 14.92 | 56 | 9136 | 110172 | 42501971 |
| Vitamin B12 deficiency | 15.79 | 14.92 | 11 | 9181 | 4911 | 42607232 |
| Renal failure neonatal | 15.66 | 14.92 | 4 | 9188 | 133 | 42612010 |
| Cardiac failure | 15.08 | 14.92 | 54 | 9138 | 106802 | 42505341 |
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Cardiac failure congestive | 110.30 | 13.65 | 133 | 18926 | 150867 | 110419373 |
| Segmental diverticular colitis | 97.19 | 13.65 | 18 | 19041 | 156 | 110570084 |
| Pedal pulse abnormal | 90.83 | 13.65 | 18 | 19041 | 230 | 110570010 |
| Myocardial infarction | 82.55 | 13.65 | 131 | 18928 | 191952 | 110378288 |
| Calcium ionised decreased | 73.12 | 13.65 | 18 | 19041 | 648 | 110569592 |
| Cyanosis | 66.80 | 13.65 | 49 | 19010 | 29692 | 110540548 |
| Toxic epidermal necrolysis | 64.23 | 13.65 | 63 | 18996 | 56664 | 110513576 |
| Reduced facial expression | 64.04 | 13.65 | 24 | 19035 | 3627 | 110566613 |
| Feeding intolerance | 62.85 | 13.65 | 18 | 19041 | 1166 | 110569074 |
| Renal failure | 60.86 | 13.65 | 126 | 18933 | 226448 | 110343792 |
| Hyponatraemia | 59.59 | 13.65 | 122 | 18937 | 217531 | 110352709 |
| Dermatitis exfoliative | 53.89 | 13.65 | 30 | 19029 | 11317 | 110558923 |
| Hypokalaemia | 53.19 | 13.65 | 105 | 18954 | 182343 | 110387897 |
| Drug interaction | 52.35 | 13.65 | 197 | 18862 | 499986 | 110070254 |
| Cardiac failure | 52.33 | 13.65 | 106 | 18953 | 187520 | 110382720 |
| Listless | 52.31 | 13.65 | 22 | 19037 | 4493 | 110565747 |
| Restlessness | 51.96 | 13.65 | 56 | 19003 | 56203 | 110514037 |
| Head discomfort | 51.22 | 13.65 | 35 | 19024 | 18965 | 110551275 |
| Hypotension | 49.68 | 13.65 | 200 | 18859 | 523649 | 110046591 |
| Scleroderma renal crisis | 48.85 | 13.65 | 14 | 19045 | 909 | 110569331 |
| Apathy | 48.79 | 13.65 | 32 | 19027 | 16207 | 110554033 |
| Blood pressure abnormal | 48.23 | 13.65 | 36 | 19023 | 22388 | 110547852 |
| Insulin autoimmune syndrome | 47.21 | 13.65 | 13 | 19046 | 729 | 110569511 |
| Hypertensive crisis | 45.57 | 13.65 | 36 | 19023 | 24336 | 110545904 |
| Cerebrovascular accident | 45.39 | 13.65 | 98 | 18961 | 181186 | 110389054 |
| Joint swelling | 44.13 | 13.65 | 11 | 19048 | 442834 | 110127406 |
| Coronary artery disease | 44.10 | 13.65 | 58 | 19001 | 71632 | 110498608 |
| Self-injurious ideation | 43.19 | 13.65 | 19 | 19040 | 4327 | 110565913 |
| Angioedema | 42.03 | 13.65 | 67 | 18992 | 98433 | 110471807 |
| Multiple organ dysfunction syndrome | 41.45 | 13.65 | 85 | 18974 | 151625 | 110418615 |
| Labile hypertension | 40.46 | 13.65 | 11 | 19048 | 588 | 110569652 |
| Blood creatinine increased | 40.34 | 13.65 | 94 | 18965 | 182795 | 110387445 |
| Gastrointestinal sounds abnormal | 40.23 | 13.65 | 20 | 19039 | 5998 | 110564242 |
| Foreign body | 39.47 | 13.65 | 16 | 19043 | 2979 | 110567261 |
| Off label use | 38.91 | 13.65 | 131 | 18928 | 1500054 | 109070186 |
| Dehydration | 38.76 | 13.65 | 121 | 18938 | 279390 | 110290850 |
| Klebsiella infection | 36.22 | 13.65 | 29 | 19030 | 19980 | 110550260 |
| Electrolyte imbalance | 36.21 | 13.65 | 38 | 19021 | 36990 | 110533250 |
| Prescription drug used without a prescription | 35.96 | 13.65 | 18 | 19041 | 5478 | 110564762 |
| Infusion related reaction | 33.37 | 13.65 | 12 | 19047 | 381150 | 110189090 |
| Acute myocardial infarction | 33.04 | 13.65 | 55 | 19004 | 83722 | 110486518 |
| Immobile | 32.90 | 13.65 | 19 | 19040 | 7683 | 110562557 |
| Occupational exposure to product | 32.51 | 13.65 | 10 | 19049 | 829 | 110569411 |
| Abdominal discomfort | 31.85 | 13.65 | 14 | 19045 | 393844 | 110176396 |
| Atrial fibrillation | 31.44 | 13.65 | 99 | 18960 | 229543 | 110340697 |
| Renal impairment | 31.28 | 13.65 | 87 | 18972 | 188358 | 110381882 |
| Lower respiratory tract infection | 31.03 | 13.65 | 3 | 19056 | 243103 | 110327137 |
| Hyperthyroidism | 30.36 | 13.65 | 31 | 19028 | 29230 | 110541010 |
| Wound | 29.64 | 13.65 | 3 | 19056 | 234434 | 110335806 |
| Bradycardia | 29.04 | 13.65 | 75 | 18984 | 155442 | 110414798 |
| Nasopharyngitis | 28.89 | 13.65 | 16 | 19043 | 394345 | 110175895 |
| Rheumatoid arthritis | 28.77 | 13.65 | 8 | 19051 | 299605 | 110270635 |
| Cholecystitis | 27.91 | 13.65 | 28 | 19031 | 25854 | 110544386 |
| Left ventricular hypertrophy | 27.90 | 13.65 | 21 | 19038 | 13223 | 110557017 |
| Blood ketone body increased | 27.82 | 13.65 | 9 | 19050 | 879 | 110569361 |
| Affect lability | 27.49 | 13.65 | 24 | 19035 | 18613 | 110551627 |
| Loss of consciousness | 27.21 | 13.65 | 85 | 18974 | 196221 | 110374019 |
| Blood urea increased | 27.12 | 13.65 | 40 | 19019 | 54917 | 110515323 |
| Pelvic fracture | 26.66 | 13.65 | 21 | 19038 | 14133 | 110556107 |
| Cognitive disorder | 26.25 | 13.65 | 51 | 19008 | 87460 | 110482780 |
| Pulmonary hypoplasia | 26.09 | 13.65 | 5 | 19054 | 53 | 110570187 |
| Maternal exposure during pregnancy | 26.02 | 13.65 | 6 | 19053 | 254877 | 110315363 |
| Cholelithiasis | 25.49 | 13.65 | 42 | 19017 | 63380 | 110506860 |
| Bedridden | 25.46 | 13.65 | 20 | 19039 | 13405 | 110556835 |
| Gingival hypertrophy | 24.90 | 13.65 | 13 | 19046 | 4318 | 110565922 |
| Alopecia | 23.69 | 13.65 | 17 | 19042 | 364736 | 110205504 |
| Drug reaction with eosinophilia and systemic symptoms | 23.60 | 13.65 | 47 | 19012 | 82048 | 110488192 |
| Pulmonary oedema | 23.57 | 13.65 | 53 | 19006 | 100606 | 110469634 |
| Skin test positive | 23.51 | 13.65 | 9 | 19050 | 1440 | 110568800 |
| Renal injury | 23.48 | 13.65 | 22 | 19037 | 18691 | 110551549 |
| Fatigue | 23.44 | 13.65 | 119 | 18940 | 1215839 | 109354401 |
| Posterior reversible encephalopathy syndrome | 23.35 | 13.65 | 29 | 19030 | 33832 | 110536408 |
| Arrhythmia | 22.66 | 13.65 | 42 | 19017 | 69533 | 110500707 |
| Rhabdomyolysis | 22.41 | 13.65 | 58 | 19001 | 120343 | 110449897 |
| Completed suicide | 22.30 | 13.65 | 7 | 19052 | 242374 | 110327866 |
| Cross sensitivity reaction | 21.85 | 13.65 | 13 | 19046 | 5554 | 110564686 |
| Laryngeal oedema | 21.66 | 13.65 | 16 | 19043 | 9791 | 110560449 |
| Impaired healing | 21.38 | 13.65 | 4 | 19055 | 196713 | 110373527 |
| Indifference | 21.28 | 13.65 | 6 | 19053 | 367 | 110569873 |
| Cardio-respiratory arrest | 20.74 | 13.65 | 55 | 19004 | 115781 | 110454459 |
| Arthropathy | 20.57 | 13.65 | 12 | 19047 | 287510 | 110282730 |
| Sinusitis | 20.37 | 13.65 | 13 | 19046 | 296675 | 110273565 |
| Oligohydramnios | 20.18 | 13.65 | 11 | 19048 | 3983 | 110566257 |
| COVID-19 treatment | 20.00 | 13.65 | 6 | 19053 | 457 | 110569783 |
| Ventricular extrasystoles | 19.96 | 13.65 | 22 | 19037 | 22619 | 110547621 |
| Haemodynamic instability | 19.77 | 13.65 | 22 | 19037 | 22866 | 110547374 |
| Stomatitis | 19.73 | 13.65 | 11 | 19048 | 270231 | 110300009 |
| Lactic acidosis | 19.68 | 13.65 | 47 | 19012 | 92764 | 110477476 |
| Syncope | 19.67 | 13.65 | 78 | 18981 | 202458 | 110367782 |
| Swelling | 19.54 | 13.65 | 19 | 19040 | 351022 | 110219218 |
| Blood potassium decreased | 19.32 | 13.65 | 34 | 19025 | 54080 | 110516160 |
| Therapeutic product effect decreased | 19.25 | 13.65 | 9 | 19050 | 244307 | 110325933 |
| Blood potassium increased | 19.06 | 13.65 | 26 | 19033 | 33223 | 110537017 |
| Long QT syndrome | 18.92 | 13.65 | 13 | 19046 | 7105 | 110563135 |
| Pain | 18.63 | 13.65 | 93 | 18966 | 954862 | 109615378 |
| Kidney small | 18.53 | 13.65 | 5 | 19054 | 260 | 110569980 |
| Elastosis perforans | 18.38 | 13.65 | 3 | 19056 | 11 | 110570229 |
| Drug intolerance | 18.34 | 13.65 | 26 | 19033 | 406486 | 110163754 |
| Musculoskeletal stiffness | 18.22 | 13.65 | 13 | 19046 | 279809 | 110290431 |
| Arthralgia | 18.18 | 13.65 | 71 | 18988 | 779561 | 109790679 |
| Acute kidney injury | 18.10 | 13.65 | 178 | 18881 | 635252 | 109934988 |
| Hyperkalaemia | 18.07 | 13.65 | 58 | 19001 | 135738 | 110434502 |
| Circulatory collapse | 17.99 | 13.65 | 29 | 19030 | 42964 | 110527276 |
| Treatment failure | 17.89 | 13.65 | 13 | 19046 | 277221 | 110293019 |
| Wheezing | 17.77 | 13.65 | 11 | 19048 | 255219 | 110315021 |
| Migraine | 17.60 | 13.65 | 4 | 19055 | 171648 | 110398592 |
| Pulmonary hypertension | 17.57 | 13.65 | 33 | 19026 | 55187 | 110515053 |
| Psoriatic arthropathy | 17.54 | 13.65 | 6 | 19053 | 196755 | 110373485 |
| Gingival oedema | 17.39 | 13.65 | 4 | 19055 | 107 | 110570133 |
| Perioral dermatitis | 17.39 | 13.65 | 6 | 19053 | 715 | 110569525 |
| Cardiac failure acute | 17.21 | 13.65 | 21 | 19038 | 24057 | 110546183 |
| Tongue oedema | 17.19 | 13.65 | 13 | 19046 | 8243 | 110561997 |
| Respiratory disorder | 17.18 | 13.65 | 38 | 19021 | 71344 | 110498896 |
| Extrasystoles | 17.10 | 13.65 | 13 | 19046 | 8305 | 110561935 |
| Blood pressure decreased | 17.02 | 13.65 | 51 | 19008 | 115040 | 110455200 |
| Angiopathy | 16.54 | 13.65 | 13 | 19046 | 8717 | 110561523 |
| Hyperplasia | 16.27 | 13.65 | 7 | 19052 | 1511 | 110568729 |
| Nodal rhythm | 16.12 | 13.65 | 9 | 19050 | 3414 | 110566826 |
| Abnormal behaviour | 15.89 | 13.65 | 26 | 19033 | 39013 | 110531227 |
| Apraxia | 15.83 | 13.65 | 9 | 19050 | 3531 | 110566709 |
| Pulmonary hypertensive crisis | 15.83 | 13.65 | 5 | 19054 | 452 | 110569788 |
| Respiratory failure | 15.63 | 13.65 | 76 | 18983 | 215256 | 110354984 |
| Haemorrhagic necrotic pancreatitis | 15.54 | 13.65 | 4 | 19055 | 173 | 110570067 |
| Hypoacusis | 15.09 | 13.65 | 24 | 19035 | 35167 | 110535073 |
| Hepatic enzyme increased | 14.99 | 13.65 | 20 | 19039 | 320872 | 110249368 |
| Blood sodium decreased | 14.89 | 13.65 | 25 | 19034 | 38294 | 110531946 |
| Injection site pain | 14.89 | 13.65 | 6 | 19053 | 177916 | 110392324 |
| Oxygen saturation decreased | 14.87 | 13.65 | 60 | 18999 | 156922 | 110413318 |
| Dermatitis contact | 14.87 | 13.65 | 15 | 19044 | 13938 | 110556302 |
| Dry mouth | 14.80 | 13.65 | 8 | 19051 | 199940 | 110370300 |
| Progressive supranuclear palsy | 14.60 | 13.65 | 4 | 19055 | 220 | 110570020 |
| Shock | 14.59 | 13.65 | 30 | 19029 | 53558 | 110516682 |
| Metabolic acidosis | 14.56 | 13.65 | 44 | 19015 | 99700 | 110470540 |
| Vascular stent thrombosis | 14.49 | 13.65 | 9 | 19050 | 4152 | 110566088 |
| Intentional product use issue | 14.28 | 13.65 | 13 | 19046 | 247893 | 110322347 |
| Encephalopathy | 14.01 | 13.65 | 38 | 19021 | 81017 | 110489223 |
| Vascular resistance systemic decreased | 13.92 | 13.65 | 4 | 19055 | 262 | 110569978 |
| Orthopnoea | 13.91 | 13.65 | 13 | 19046 | 11008 | 110559232 |
| Sudden death | 13.87 | 13.65 | 19 | 19040 | 24376 | 110545864 |
| Localised oedema | 13.85 | 13.65 | 12 | 19047 | 9211 | 110561029 |
| Hyperglycaemia | 13.83 | 13.65 | 39 | 19020 | 85051 | 110485189 |
| Respiratory distress | 13.66 | 13.65 | 34 | 19025 | 68840 | 110501400 |
None
| Source | Code | Description |
|---|---|---|
| ATC | C09AA01 | CARDIOVASCULAR SYSTEM AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM ACE INHIBITORS, PLAIN ACE inhibitors, plain |
| ATC | C09BA01 | CARDIOVASCULAR SYSTEM AGENTS ACTING ON THE RENIN-ANGIOTENSIN SYSTEM ACE INHIBITORS, COMBINATIONS ACE inhibitors and diuretics |
| FDA MoA | N0000000181 | Angiotensin-converting Enzyme Inhibitors |
| FDA EPC | N0000175562 | Angiotensin Converting Enzyme Inhibitor |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:33281 | antimicrobial agent |
| CHEBI has role | CHEBI:35457 | EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor |
| CHEBI has role | CHEBI:35526 | hypoglycemic agent |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:233423 | antifibrotic agent |
| MeSH PA | D000806 | Angiotensin-Converting Enzyme Inhibitors |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D011480 | Protease Inhibitors |
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hypertensive disorder | indication | 38341003 | DOID:10763 |
| Chronic heart failure | indication | 48447003 | |
| Diabetic renal disease | indication | 127013003 | |
| Left ventricular cardiac dysfunction | indication | 429589006 | |
| Atrial fibrillation | off-label use | 49436004 | DOID:0060224 |
| Cystinuria | off-label use | 85020001 | DOID:9266 |
| Diastolic heart failure | off-label use | 418304008 | DOID:9775 |
| Cystine Renal Calculi | off-label use | ||
| Nondiabetic Proteinuric Nephropathy | off-label use | ||
| Anuria | contraindication | 2472002 | DOID:2983 |
| Hypercholesterolemia | contraindication | 13644009 | |
| Hyperkalemia | contraindication | 14140009 | |
| Secondary angle-closure glaucoma | contraindication | 21571006 | |
| Hypovolemia | contraindication | 28560003 | |
| Acute cerebrovascular insufficiency | contraindication | 29322000 | |
| Dehydration | contraindication | 34095006 | |
| Hyperuricemia | contraindication | 35885006 | DOID:1920 |
| Immunosuppression | contraindication | 38013005 | |
| Angioedema | contraindication | 41291007 | DOID:1558 |
| Hypokalemia | contraindication | 43339004 | |
| Low blood pressure | contraindication | 45007003 | |
| Cough | contraindication | 49727002 | |
| Systemic lupus erythematosus | contraindication | 55464009 | DOID:9074 |
| Sympathectomy | contraindication | 57071006 | |
| Aortic valve stenosis | contraindication | 60573004 | DOID:1712 |
| Hypercalcemia | contraindication | 66931009 | DOID:12678 |
| Hyperparathyroidism | contraindication | 66999008 | DOID:13543 |
| Hypochloremic alkalosis | contraindication | 70134007 | |
| Hepatic coma | contraindication | 72836002 | DOID:12550 |
| Diabetes mellitus | contraindication | 73211009 | DOID:9351 |
| Transplantation | contraindication | 77465005 | |
| Hereditary angioneurotic edema | contraindication | 82966003 | DOID:14735 |
| Hyponatremia | contraindication | 89627008 | |
| Gout | contraindication | 90560007 | DOID:13189 |
| Kidney disease | contraindication | 90708001 | DOID:557 |
| Disorder of connective tissue | contraindication | 105969002 | DOID:65 |
| Hypomagnesemia | contraindication | 190855004 | |
| Acute pancreatitis | contraindication | 197456007 | DOID:2913 |
| Hypertrophic cardiomyopathy | contraindication | 233873004 | DOID:11984 |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Neonatal hyperbilirubinemia | contraindication | 281610001 | |
| Pregnancy, function | contraindication | 289908002 | |
| Renal artery stenosis | contraindication | 302233006 | |
| Neutropenic disorder | contraindication | 303011007 | DOID:1227 |
| Bone marrow depression | contraindication | 307762000 | |
| Azotemia | contraindication | 445009001 | |
| Hemodialysis with High-Flux Membrane | contraindication |
None
None
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 3.85 | acidic |
| pKa2 | 9.56 | acidic |
None
None
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Angiotensin-converting enzyme | Enzyme | INHIBITOR | Ki | 8.70 | WOMBAT-PK | CHEMBL | |||
| Prostaglandin G/H synthase 1 | Enzyme | Ki | 4.77 | CHEMBL | |||||
| Prothrombin | Enzyme | Ki | 7.32 | CHEMBL | |||||
| Renin | Enzyme | Ki | 8.77 | CHEMBL | |||||
| Leukotriene A-4 hydrolase | Enzyme | IC50 | 7.15 | CHEMBL | |||||
| Prostaglandin G/H synthase 2 | Enzyme | Ki | 4.92 | CHEMBL | |||||
| Angiotensin-converting enzyme | Enzyme | Ki | 8.77 | CHEMBL | |||||
| Angiotensin-converting enzyme | Enzyme | Ki | 8.70 | CHEMBL | |||||
| Succinyl-diaminopimelate desuccinylase | Enzyme | Ki | 5.74 | CHEMBL | |||||
| Beta-lactamase | Enzyme | Ki | 5.62 | CHEMBL | |||||
| Beta-lactamase II | Enzyme | Ki | 4.75 | CHEMBL | |||||
| Beta-lactamase class B VIM-2 | Enzyme | Kd | 6.22 | CHEMBL | |||||
| Beta-lactamase NDM-1 | Enzyme | Kd | 4.85 | CHEMBL |
| ID | Source |
|---|---|
| 4017614 | VUID |
| N0000145994 | NUI |
| D00251 | KEGG_DRUG |
| 1998 | RXNORM |
| C0006938 | UMLSCUI |
| CHEBI:3380 | CHEBI |
| X8Z | PDB_CHEM_ID |
| CHEMBL1560 | ChEMBL_ID |
| DB01197 | DRUGBANK_ID |
| D002216 | MESH_DESCRIPTOR_UI |
| 44093 | PUBCHEM_CID |
| 5158 | IUPHAR_LIGAND_ID |
| 4373 | INN_ID |
| 9G64RSX1XD | UNII |
| 4347 | MMSL |
| 455 | MMSL |
| d00006 | MMSL |
| 29439004 | SNOMEDCT_US |
| 387160004 | SNOMEDCT_US |
| 4017614 | VANDF |
| 000656 | NDDF |
| 9G64RSX1XD | INXIGHT DRUGS |
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0143-1171 | TABLET | 12.50 mg | ORAL | ANDA | 22 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0143-1172 | TABLET | 25 mg | ORAL | ANDA | 22 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0143-1173 | TABLET | 50 mg | ORAL | ANDA | 22 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0143-1174 | TABLET | 100 mg | ORAL | ANDA | 22 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0904-7105 | TABLET | 12.50 mg | ORAL | ANDA | 12 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 0904-7106 | TABLET | 25 mg | ORAL | ANDA | 12 sections |
| captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 10135-791 | TABLET | 12.50 mg | ORAL | ANDA | 25 sections |
| captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 10135-792 | TABLET | 25 mg | ORAL | ANDA | 25 sections |
| captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 10135-793 | TABLET | 50 mg | ORAL | ANDA | 25 sections |
| CAPTOPRIL | HUMAN PRESCRIPTION DRUG LABEL | 1 | 10544-175 | TABLET | 50 mg | ORAL | ANDA | 19 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 11788-135 | TABLET | 12.50 mg | ORAL | ANDA | 22 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 11788-136 | TABLET | 25 mg | ORAL | ANDA | 22 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 11788-137 | TABLET | 50 mg | ORAL | ANDA | 22 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 11788-138 | TABLET | 100 mg | ORAL | ANDA | 22 sections |
| CAPTOPRIL AND HYDROCHLOROTHIAZIDE | Human Prescription Drug Label | 2 | 16571-827 | TABLET | 25 mg | ORAL | ANDA | 22 sections |
| CAPTOPRIL AND HYDROCHLOROTHIAZIDE | Human Prescription Drug Label | 2 | 16571-828 | TABLET | 25 mg | ORAL | ANDA | 22 sections |
| CAPTOPRIL AND HYDROCHLOROTHIAZIDE | Human Prescription Drug Label | 2 | 16571-829 | TABLET | 50 mg | ORAL | ANDA | 22 sections |
| CAPTOPRIL AND HYDROCHLOROTHIAZIDE | Human Prescription Drug Label | 2 | 16571-830 | TABLET | 50 mg | ORAL | ANDA | 22 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 21695-477 | TABLET | 25 mg | ORAL | ANDA | 24 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 21695-478 | TABLET | 50 mg | ORAL | ANDA | 24 sections |
| Captopril | Human Prescription Drug Label | 1 | 27241-160 | TABLET | 12.50 mg | ORAL | ANDA | 12 sections |
| Captopril | Human Prescription Drug Label | 1 | 27241-161 | TABLET | 25 mg | ORAL | ANDA | 12 sections |
| Captopril | Human Prescription Drug Label | 1 | 27241-162 | TABLET | 50 mg | ORAL | ANDA | 12 sections |
| Captopril | Human Prescription Drug Label | 1 | 27241-163 | TABLET | 100 mg | ORAL | ANDA | 12 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 31722-141 | TABLET | 12.50 mg | ORAL | ANDA | 24 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 31722-142 | TABLET | 25 mg | ORAL | ANDA | 24 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 31722-143 | TABLET | 50 mg | ORAL | ANDA | 24 sections |
| Captopril | HUMAN PRESCRIPTION DRUG LABEL | 1 | 31722-144 | TABLET | 100 mg | ORAL | ANDA | 24 sections |
| CAPTOPRIL | HUMAN PRESCRIPTION DRUG LABEL | 1 | 33261-182 | TABLET | 50 mg | ORAL | ANDA | 19 sections |
| CAPTOPRIL | HUMAN PRESCRIPTION DRUG LABEL | 1 | 33261-536 | TABLET | 100 mg | ORAL | ANDA | 19 sections |